copper 1-(5,10,15,20-tetraphenyl-21H-porphyrin-24-id-2-yl)naphthalen-2-olate

Systemtic Name: copper 1-(5,10,15,20-tetraphenyl-21H-porphyrin-24-id-2-yl)naphthalen-2-olate Openeye Name: copper 1-(5,10,15,20-tetraphenyl-21H-porphyrin-24-id-2-yl)naphthalen-2-olate CAS Name: copper 1-(5,10,15,20-tetraphenyl-21H-porphyrin-24-id-2-yl)-2-naphthalenolate IUPAC Name: copper 1-(5,10,15,20-tetraphenyl-21H-porphyrin-24-id-2-yl)naphthalen-2-olate Traditional Name: cupric 1-(5,10,15,20-tetraphenyl-21H-porphin-24-id-2-yl)naphthalen-2-olate Formula: C54H34CuN4O MolecularWeight: 818.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=C(C=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=C(C=CC1=CC=CC=C19)[O-])C1=CC=CC=C1)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=C(C=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=C(C=CC1=CC=CC=C19)[O-])C1=CC=CC=C1)[N-]3.[Cu+2]

InChI

InChI=1S/C54H35N4O.Cu/c59-48-32-25-34-15-13-14-24-39(34)53(48)40-33-47-51(37-20-9-3-10-21-37)45-29-28-43(56-45)49(35-16-5-1-6-17-35)41-26-27-42(55-41)50(36-18-7-2-8-19-36)44-30-31-46(57-44)52(54(40)58-47)38-22-11-4-12-23-38;/h1-33H,(H2-,55,56,57,58,59);/q-1;+2/p-1